Mon Jul 04 16:26:07.893 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:26:07.896 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C5_OS_Plate012_C5\1\pdata\1
Mon Jul 04 16:26:07.903 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:26:07.907 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:26:07.910 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:26:08.018 CEST 2022: No HSQC data available
Mon Jul 04 16:26:08.030 CEST 2022: No C13 data available
Mon Jul 04 16:26:08.041 CEST 2022: No HMBC data available
Mon Jul 04 16:26:08.054 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:26:08.076 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:26:08.193 CEST 2022: Structure is used: true
Mon Jul 04 16:26:08.211 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C5_OS_Plate012_C5/1/C5_OS_Plate12_C5-4668eef6-916a-4c83-8999-c409b7a8c2c3.mol
Mon Jul 04 16:26:08.214 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:26:08.224 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:26:08.227 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:26:08.230 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:26:08.233 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:26:08.235 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:26:08.237 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:26:08.240 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:26:08.244 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:26:08.246 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:26:08.249 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:26:08.252 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:26:08.254 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:26:08.256 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:26:08.259 CEST 2022: RMSD noise: 29836312.372 (6.132/5.632)
Mon Jul 04 16:26:08.261 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:26:08.264 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:26:08.268 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:26:08.293 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:26:08.389 CEST 2022: Number of Peaks: (92, 9)
Mon Jul 04 16:26:08.392 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:26:08.395 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:26:08.458 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:26:08.461 CEST 2022: Signal-to-Noise ratio: 4228.50 (3.610 ppm)
Mon Jul 04 16:26:08.464 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:26:08.466 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:08.469 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.25 s.
Mon Jul 04 16:26:08.490 CEST 2022: Number of Multiplets: 133
Mon Jul 04 16:26:08.493 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:26:08.551 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:26:08.557 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:26:08.575 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:26:08.726 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:26:08.734 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:26:08.739 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:26:08.743 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:26:08.745 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:26:08.748 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:26:08.778 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon Jul 04 16:26:08.932 CEST 2022: Elapsed time for evaluation (IN Suite): 0.14 s.
Mon Jul 04 16:26:08.981 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:26:09.336 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:26:09.339 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:26:09.341 CEST 2022: CMC-q finished in 1.45 s.
